2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine

C17H27NO — CID 55210303

IUPAC2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCOc1ccc(C2CC2CNCC(C)C)cc1
InChIInChI=1S/C17H27NO/c1-4-9-19-16-7-5-14(6-8-16)17-10-15(17)12-18-11-13(2)3/h5-8,13,15,17-18H,4,9-12H2,1-3H3
InChIKeyHZJZOPGAPKZJPV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.82
Rot. Bonds8

About 2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine

2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 55210303) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine
PubChem CID55210303
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCOc1ccc(C2CC2CNCC(C)C)cc1
InChIInChI=1S/C17H27NO/c1-4-9-19-16-7-5-14(6-8-16)17-10-15(17)12-18-11-13(2)3/h5-8,13,15,17-18H,4,9-12H2,1-3H3
InChIKeyHZJZOPGAPKZJPV-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712637
2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine
CID 81023460
2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62713194
N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712268
N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62714240
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine
CID 62713530
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131
N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026728
N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 81028785
2-methyl-N-[(2-thiophen-3-ylcyclopropyl)methyl]propan-1-amine
CID 62712093
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 65101606

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine (CID 55210303) is 2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine is CCCOc1ccc(C2CC2CNCC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is HZJZOPGAPKZJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-9-19-16-7-5-14(6-8-16)17-10-15(17)12-18-11-13(2)3/h5-8,13,15,17-18H,4,9-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine?
2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 55210303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).