1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine

C18H27ClN2 — CID 63688861

IUPAC1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine
SMILESCC(N)C(c1ccc(Cl)cc1)N(C)CC1CC2CCC1C2
InChIInChI=1S/C18H27ClN2/c1-12(20)18(14-5-7-17(19)8-6-14)21(2)11-16-10-13-3-4-15(16)9-13/h5-8,12-13,15-16,18H,3-4,9-11,20H2,1-2H3
InChIKeyKWOLPNXFBTWSEN-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.10
Rot. Bonds5

About 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine

1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 63688861) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine
PubChem CID63688861
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine
SMILESCC(N)C(c1ccc(Cl)cc1)N(C)CC1CC2CCC1C2
InChIInChI=1S/C18H27ClN2/c1-12(20)18(14-5-7-17(19)8-6-14)21(2)11-16-10-13-3-4-15(16)9-13/h5-8,12-13,15-16,18H,3-4,9-11,20H2,1-2H3
InChIKeyKWOLPNXFBTWSEN-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine with MolForge

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Related Compounds

1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine
CID 63688288
(1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63682288
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine
CID 63681537
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727
1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine
CID 55016538
4-[1-amino-2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,N-dimethylaniline
CID 105167951
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 63688840
4-(2-aminopropyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylaniline
CID 63794333
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-N-(2-hydroxyethyl)benzamide
CID 134126273
1-(4-chlorophenyl)-1-N-cyclopropyl-1-N-methylbutane-1,2-diamine
CID 55015474
2-(2-bicyclo[2.2.1]heptanylmethylsulfanyl)-4-chloroaniline
CID 79551804
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dichlorophenyl)ethanamine
CID 43167287

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine (CID 63688861) is 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine is CC(N)C(c1ccc(Cl)cc1)N(C)CC1CC2CCC1C2.
What is the InChIKey of 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is KWOLPNXFBTWSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-12(20)18(14-5-7-17(19)8-6-14)21(2)11-16-10-13-3-4-15(16)9-13/h5-8,12-13,15-16,18H,3-4,9-11,20H2,1-2H3.
What are the key properties of 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine?
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 306.88 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 63688861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).