1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine

C14H23N3 — CID 83961012

IUPAC1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine
SMILESCC(N)CNc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C14H23N3/c1-12(15)10-16-14-6-4-13(5-7-14)11-17-8-2-3-9-17/h4-7,12,16H,2-3,8-11,15H2,1H3
InChIKeyXGJGWTLPRPJYOJ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.04
Rot. Bonds5

About 1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine

1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine (PubChem CID 83961012) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine
PubChem CID83961012
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine
SMILESCC(N)CNc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C14H23N3/c1-12(15)10-16-14-6-4-13(5-7-14)11-17-8-2-3-9-17/h4-7,12,16H,2-3,8-11,15H2,1H3
InChIKeyXGJGWTLPRPJYOJ-UHFFFAOYSA-N
XLogP2.04
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]butane-1,2-diamine
CID 83960955
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
1-N-(4-chlorophenyl)propane-1,2-diamine
CID 18972775
N-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 102868409
N'-[4-(pyrrolidin-1-ylmethyl)phenyl]hexane-1,6-diamine
CID 83961000
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
CID 105346444
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
N-(2-ethylbutyl)-4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 112721076
3-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide
CID 119867293
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 62990067

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine?
The IUPAC name of 1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine (CID 83961012) is 1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine?
The canonical SMILES for 1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine is CC(N)CNc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine?
The InChIKey is XGJGWTLPRPJYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12(15)10-16-14-6-4-13(5-7-14)11-17-8-2-3-9-17/h4-7,12,16H,2-3,8-11,15H2,1H3.
What are the key properties of 1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine?
1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine is sourced from PubChem (CID 83961012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).