N'-[1-(3-chlorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine

C15H25ClN2 — CID 79647643

IUPACN'-[1-(3-chlorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCCC(c1cccc(Cl)c1)N(C)CC(C)(C)CN
InChIInChI=1S/C15H25ClN2/c1-5-14(12-7-6-8-13(16)9-12)18(4)11-15(2,3)10-17/h6-9,14H,5,10-11,17H2,1-4H3
InChIKeyDHGOYXQQYFFKFR-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.71
Rot. Bonds6

About N'-[1-(3-chlorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine

N'-[1-(3-chlorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 79647643) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is N'-[1-(3-chlorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(3-chlorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine
PubChem CID79647643
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC NameN'-[1-(3-chlorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCCC(c1cccc(Cl)c1)N(C)CC(C)(C)CN
InChIInChI=1S/C15H25ClN2/c1-5-14(12-7-6-8-13(16)9-12)18(4)11-15(2,3)10-17/h6-9,14H,5,10-11,17H2,1-4H3
InChIKeyDHGOYXQQYFFKFR-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine
CID 114872153
1-(3-chlorophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265560
2-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]propyl]-4-bromophenol
CID 79644858
1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622
1-N-[1-(3-chlorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452152
N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928713
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide
CID 79652238
2-(3-chlorophenyl)-3,3-dimethylbutan-1-amine
CID 82078166
2-N-[1-(3-chlorophenyl)ethyl]-2-N,2,4-trimethylpentane-1,2-diamine
CID 62980376
2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide
CID 55019790
2-[1-(3-chlorophenyl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265740
2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide
CID 55019741

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-chlorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[1-(3-chlorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine (CID 79647643) is N'-[1-(3-chlorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(3-chlorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(3-chlorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine is CCC(c1cccc(Cl)c1)N(C)CC(C)(C)CN.
What is the InChIKey of N'-[1-(3-chlorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is DHGOYXQQYFFKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-5-14(12-7-6-8-13(16)9-12)18(4)11-15(2,3)10-17/h6-9,14H,5,10-11,17H2,1-4H3.
What are the key properties of N'-[1-(3-chlorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine?
N'-[1-(3-chlorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-chlorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79647643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).