4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol

C16H25ClN2O2 — CID 114948474

IUPAC4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol
SMILESCC(N)C(c1ccccc1Cl)N(C)CC1(O)CCOCC1
InChIInChI=1S/C16H25ClN2O2/c1-12(18)15(13-5-3-4-6-14(13)17)19(2)11-16(20)7-9-21-10-8-16/h3-6,12,15,20H,7-11,18H2,1-2H3
InChIKeyKPDDMKSBQRPNKR-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.20
Rot. Bonds5

About 4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol

4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol (PubChem CID 114948474) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol
PubChem CID114948474
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol
SMILESCC(N)C(c1ccccc1Cl)N(C)CC1(O)CCOCC1
InChIInChI=1S/C16H25ClN2O2/c1-12(18)15(13-5-3-4-6-14(13)17)19(2)11-16(20)7-9-21-10-8-16/h3-6,12,15,20H,7-11,18H2,1-2H3
InChIKeyKPDDMKSBQRPNKR-UHFFFAOYSA-N
XLogP2.20
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948138
4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol
CID 62978113
1-(2-chlorophenyl)-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 63727801
4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 113269047
1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55018949
4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol
CID 114948371
1-[[[2-amino-1-(furan-2-yl)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114947988
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62986113
4-[[4-(1-aminoethyl)-3-hydroxy-N-methylanilino]methyl]oxan-4-ol
CID 114950022
4-[[1-(3-aminophenyl)ethyl-methylamino]methyl]oxan-4-ol
CID 114948472
4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol
CID 114950338
1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948033

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol (CID 114948474) is 4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol is CC(N)C(c1ccccc1Cl)N(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol?
The InChIKey is KPDDMKSBQRPNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-12(18)15(13-5-3-4-6-14(13)17)19(2)11-16(20)7-9-21-10-8-16/h3-6,12,15,20H,7-11,18H2,1-2H3.
What are the key properties of 4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol?
4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol has a molecular weight of 312.84 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114948474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).