3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine

C14H22N2 — CID 117311503

IUPAC3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
SMILESNCCCc1cccc(CN2CCCC2)c1
InChIInChI=1S/C14H22N2/c15-8-4-7-13-5-3-6-14(11-13)12-16-9-1-2-10-16/h3,5-6,11H,1-2,4,7-10,12,15H2
InChIKeyVZAFPAWXYVFCIL-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.17
Rot. Bonds5

About 3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine

3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine (PubChem CID 117311503) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
PubChem CID117311503
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
SMILESNCCCc1cccc(CN2CCCC2)c1
InChIInChI=1S/C14H22N2/c15-8-4-7-13-5-3-6-14(11-13)12-16-9-1-2-10-16/h3,5-6,11H,1-2,4,7-10,12,15H2
InChIKeyVZAFPAWXYVFCIL-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 117337056
3-[3-(azepan-1-ylmethyl)phenoxy]propan-1-amine
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3-[3-(azepan-1-yl)phenyl]propan-1-amine
CID 28806993
[3-(piperidin-1-ylmethyl)phenyl]methanethiol
CID 57304905
3-(azepan-1-ylmethyl)aniline
CID 6484183
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
3-(pyrrolidin-1-ylmethyl)benzenethiol
CID 46785609
3-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43251514
3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine
CID 170868003
3-(pyrrolidin-1-ylmethyl)benzenecarbothioamide
CID 24694260
3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine
CID 170867728
1-[1-[[3-(2-aminoethyl)phenyl]methyl]piperidin-3-yl]-2-phenylethanone
CID 56888327

Frequently Asked Questions

What is the IUPAC name of 3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine?
The IUPAC name of 3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine (CID 117311503) is 3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine is NCCCc1cccc(CN2CCCC2)c1.
What is the InChIKey of 3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine?
The InChIKey is VZAFPAWXYVFCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c15-8-4-7-13-5-3-6-14(11-13)12-16-9-1-2-10-16/h3,5-6,11H,1-2,4,7-10,12,15H2.
What are the key properties of 3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine?
3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine is sourced from PubChem (CID 117311503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).