4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine

C18H24N2O — CID 81394593

IUPAC4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine
SMILESCOc1ccc(CCC(C)N[C@H](C)c2ccncc2)cc1
InChIInChI=1S/C18H24N2O/c1-14(20-15(2)17-10-12-19-13-11-17)4-5-16-6-8-18(21-3)9-7-16/h6-15,20H,4-5H2,1-3H3/t14?,15-/m1/s1
InChIKeyKLSZSWMURVCVRT-YSSOQSIOSA-N
MW284.40 g/mol
LogP3.76
Rot. Bonds7

About 4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine

4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine (PubChem CID 81394593) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine
PubChem CID81394593
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine
SMILESCOc1ccc(CCC(C)N[C@H](C)c2ccncc2)cc1
InChIInChI=1S/C18H24N2O/c1-14(20-15(2)17-10-12-19-13-11-17)4-5-16-6-8-18(21-3)9-7-16/h6-15,20H,4-5H2,1-3H3/t14?,15-/m1/s1
InChIKeyKLSZSWMURVCVRT-YSSOQSIOSA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.76
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-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81368068
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81367480
N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 43776737
N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine
CID 64600673
N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine
CID 2846404
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81354744
N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine
CID 81406053
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 94816754
N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine
CID 78978381

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine (CID 81394593) is 4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine is COc1ccc(CCC(C)N[C@H](C)c2ccncc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine?
The InChIKey is KLSZSWMURVCVRT-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(20-15(2)17-10-12-19-13-11-17)4-5-16-6-8-18(21-3)9-7-16/h6-15,20H,4-5H2,1-3H3/t14?,15-/m1/s1.
What are the key properties of 4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine?
4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine has a molecular weight of 284.40 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine is sourced from PubChem (CID 81394593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).