N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine

C16H26N2O — CID 115208775

IUPACN-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESCOc1ccc(CNCC2CCNC2)cc1C(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)15-8-13(4-5-16(15)19-3)9-18-11-14-6-7-17-10-14/h4-5,8,12,14,17-18H,6-7,9-11H2,1-3H3
InChIKeyQAZUDPSVGJTMAK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.52
Rot. Bonds6

About N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine

N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine (PubChem CID 115208775) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
PubChem CID115208775
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESCOc1ccc(CNCC2CCNC2)cc1C(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)15-8-13(4-5-16(15)19-3)9-18-11-14-6-7-17-10-14/h4-5,8,12,14,17-18H,6-7,9-11H2,1-3H3
InChIKeyQAZUDPSVGJTMAK-UHFFFAOYSA-N
XLogP2.52
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209928
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209615
2-(3-chloro-4-methoxyphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208973
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208972
4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline
CID 115209479
N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 115208869
1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 115207484
N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208780
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208814
2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 79016620
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17155046
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine (CID 115208775) is N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine is COc1ccc(CNCC2CCNC2)cc1C(C)C.
What is the InChIKey of N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
The InChIKey is QAZUDPSVGJTMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)15-8-13(4-5-16(15)19-3)9-18-11-14-6-7-17-10-14/h4-5,8,12,14,17-18H,6-7,9-11H2,1-3H3.
What are the key properties of N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 115208775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).