N-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine

C18H30N2O — CID 84745879

IUPACN-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCOc1cc(CN2CCC(C)CC2)ccc1CNC(C)C
InChIInChI=1S/C18H30N2O/c1-14(2)19-12-17-6-5-16(11-18(17)21-4)13-20-9-7-15(3)8-10-20/h5-6,11,14-15,19H,7-10,12-13H2,1-4H3
InChIKeyNOPUBNIIARAYGP-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.43
Rot. Bonds6

About N-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine

N-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine (PubChem CID 84745879) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
PubChem CID84745879
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCOc1cc(CN2CCC(C)CC2)ccc1CNC(C)C
InChIInChI=1S/C18H30N2O/c1-14(2)19-12-17-6-5-16(11-18(17)21-4)13-20-9-7-15(3)8-10-20/h5-6,11,14-15,19H,7-10,12-13H2,1-4H3
InChIKeyNOPUBNIIARAYGP-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine
CID 84745826
2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482
1-[(4-hydroperoxy-3-methoxyphenyl)methyl]-4-methylpiperidine
CID 143148512
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079
N-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 84746066
1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol
CID 106835613
N-[[4-(1,4-diazepan-1-ylmethyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 84746317
N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine
CID 84745947
N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 84745951
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 106785254
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
N-[[4-(azepan-1-ylmethyl)-2-methoxyphenyl]methyl]prop-2-en-1-amine
CID 84750707

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine (CID 84745879) is N-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine is COc1cc(CN2CCC(C)CC2)ccc1CNC(C)C.
What is the InChIKey of N-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is NOPUBNIIARAYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)19-12-17-6-5-16(11-18(17)21-4)13-20-9-7-15(3)8-10-20/h5-6,11,14-15,19H,7-10,12-13H2,1-4H3.
What are the key properties of N-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
N-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 84745879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).