N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine

C16H27NO2 — CID 64600673

IUPACN-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine
SMILESCOCCC(C)NC(C)CCc1ccc(OC)cc1
InChIInChI=1S/C16H27NO2/c1-13(17-14(2)11-12-18-3)5-6-15-7-9-16(19-4)10-8-15/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyMWMWWKNLMVPGSK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.03
Rot. Bonds9

About N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine

N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine (PubChem CID 64600673) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine
PubChem CID64600673
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine
SMILESCOCCC(C)NC(C)CCc1ccc(OC)cc1
InChIInChI=1S/C16H27NO2/c1-13(17-14(2)11-12-18-3)5-6-15-7-9-16(19-4)10-8-15/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyMWMWWKNLMVPGSK-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-N-(1-phenylethyl)butan-2-amine
CID 19981570
4-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]butan-2-amine
CID 81350768
N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine
CID 2846404
4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine
CID 61473299
methyl (2S)-2-[4-(4-methoxyphenyl)butan-2-ylamino]-3-methylbutanoate
CID 43776073
N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 43776737
4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine
CID 81394593
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81367480
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81368068
2-[4-(4-methoxyphenyl)butan-2-ylamino]pentanoic acid
CID 65055651
N-[4-(4-methoxyphenyl)butan-2-yl]-2,5-dimethylpyrrol-1-amine
CID 79090719
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine (CID 64600673) is N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine is COCCC(C)NC(C)CCc1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine?
The InChIKey is MWMWWKNLMVPGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(17-14(2)11-12-18-3)5-6-15-7-9-16(19-4)10-8-15/h7-10,13-14,17H,5-6,11-12H2,1-4H3.
What are the key properties of N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine?
N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 64600673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).