N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine

C18H30N2O — CID 62579495

IUPACN-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
SMILESCOc1ccc(C)cc1CN1CCCCC1CNC(C)C
InChIInChI=1S/C18H30N2O/c1-14(2)19-12-17-7-5-6-10-20(17)13-16-11-15(3)8-9-18(16)21-4/h8-9,11,14,17,19H,5-7,10,12-13H2,1-4H3
InChIKeyQPURBEMWZPCIFQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.36
Rot. Bonds6

About N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine

N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine (PubChem CID 62579495) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
PubChem CID62579495
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
SMILESCOc1ccc(C)cc1CN1CCCCC1CNC(C)C
InChIInChI=1S/C18H30N2O/c1-14(2)19-12-17-7-5-6-10-20(17)13-16-11-15(3)8-9-18(16)21-4/h8-9,11,14,17,19H,5-7,10,12-13H2,1-4H3
InChIKeyQPURBEMWZPCIFQ-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 62580232
1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928465
N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 114346179
N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 62581473
N-[[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580367
4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol
CID 63325311
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62581996
N-[[4-[(2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83100679
1-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249976
[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916076
N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 65317396
1-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-bromopropyl)pyrrolidine
CID 112747899

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine (CID 62579495) is N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine is COc1ccc(C)cc1CN1CCCCC1CNC(C)C.
What is the InChIKey of N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is QPURBEMWZPCIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)19-12-17-7-5-6-10-20(17)13-16-11-15(3)8-9-18(16)21-4/h8-9,11,14,17,19H,5-7,10,12-13H2,1-4H3.
What are the key properties of N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine?
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62579495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).