4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine

C19H32N2 — CID 61241070

IUPAC4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine
SMILESCc1cccc(CCC(C)NCCN2CCC(C)CC2)c1
InChIInChI=1S/C19H32N2/c1-16-9-12-21(13-10-16)14-11-20-18(3)7-8-19-6-4-5-17(2)15-19/h4-6,15-16,18,20H,7-14H2,1-3H3
InChIKeyVRHUBDKFBRWMJF-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.64
Rot. Bonds7

About 4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine

4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine (PubChem CID 61241070) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine
PubChem CID61241070
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine
SMILESCc1cccc(CCC(C)NCCN2CCC(C)CC2)c1
InChIInChI=1S/C19H32N2/c1-16-9-12-21(13-10-16)14-11-20-18(3)7-8-19-6-4-5-17(2)15-19/h4-6,15-16,18,20H,7-14H2,1-3H3
InChIKeyVRHUBDKFBRWMJF-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine
CID 63450215
4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine
CID 103871923
4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 61459848
4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181589
N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 113475005
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
2-[4-(3-methylphenyl)butan-2-ylamino]ethanesulfonamide
CID 61169942
2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine
CID 83010343
1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315357
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine?
The IUPAC name of 4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine (CID 61241070) is 4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine is Cc1cccc(CCC(C)NCCN2CCC(C)CC2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine?
The InChIKey is VRHUBDKFBRWMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-16-9-12-21(13-10-16)14-11-20-18(3)7-8-19-6-4-5-17(2)15-19/h4-6,15-16,18,20H,7-14H2,1-3H3.
What are the key properties of 4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine?
4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine is sourced from PubChem (CID 61241070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).