N-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine

C18H24ClNO — CID 2867762

IUPACN-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
SMILESCc1ccc(C(C)(C)CC(C)NCc2ccc(Cl)cc2)o1
InChIInChI=1S/C18H24ClNO/c1-13(20-12-15-6-8-16(19)9-7-15)11-18(3,4)17-10-5-14(2)21-17/h5-10,13,20H,11-12H2,1-4H3
InChIKeyJTYHQBFPYOBRDP-UHFFFAOYSA-N
MW305.85 g/mol
LogP5.09
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine

N-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine (PubChem CID 2867762) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
PubChem CID2867762
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC NameN-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
SMILESCc1ccc(C(C)(C)CC(C)NCc2ccc(Cl)cc2)o1
InChIInChI=1S/C18H24ClNO/c1-13(20-12-15-6-8-16(19)9-7-15)11-18(3,4)17-10-5-14(2)21-17/h5-10,13,20H,11-12H2,1-4H3
InChIKeyJTYHQBFPYOBRDP-UHFFFAOYSA-N
XLogP5.09
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.85
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
CID 2867746
N-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
CID 2867749
N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine
CID 21355577
(4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium
CID 7463397
(1R,2S,3S)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine
CID 11905876
(1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine
CID 27274527
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998
N-[(4-chlorophenyl)methyl]hex-5-en-2-amine
CID 75525488
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
CID 78950390
N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 60749843

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine (CID 2867762) is N-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine is Cc1ccc(C(C)(C)CC(C)NCc2ccc(Cl)cc2)o1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
The InChIKey is JTYHQBFPYOBRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO/c1-13(20-12-15-6-8-16(19)9-7-15)11-18(3,4)17-10-5-14(2)21-17/h5-10,13,20H,11-12H2,1-4H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
N-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine has a molecular weight of 305.85 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine is sourced from PubChem (CID 2867762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).