N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine

C18H29NO — CID 65091463

IUPACN-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCOc1ccc(NC2CCCC(C(C)C)CC2)cc1C
InChIInChI=1S/C18H29NO/c1-13(2)15-6-5-7-16(9-8-15)19-17-10-11-18(20-4)14(3)12-17/h10-13,15-16,19H,5-9H2,1-4H3
InChIKeyQDNNRCHEGTXQQW-UHFFFAOYSA-N
MW275.44 g/mol
LogP5.02
Rot. Bonds4

About N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine

N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65091463) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID65091463
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCOc1ccc(NC2CCCC(C(C)C)CC2)cc1C
InChIInChI=1S/C18H29NO/c1-13(2)15-6-5-7-16(9-8-15)19-17-10-11-18(20-4)14(3)12-17/h10-13,15-16,19H,5-9H2,1-4H3
InChIKeyQDNNRCHEGTXQQW-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087618
N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline
CID 64624416
4-bromo-3-methoxy-N-(4-propan-2-ylcyclohexyl)aniline
CID 82858349
4-bromo-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419168
N-cyclobutyl-4-ethoxy-3-methylaniline
CID 115884846
N-(4-methoxy-3-methylphenyl)-1-oxothian-4-amine
CID 54981489
N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087459
N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline
CID 113483426
N-(4-propan-2-ylcycloheptyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 65087519
3-bromo-N-cyclopentyl-4-methoxyaniline
CID 63999867
4-methoxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998881
1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
CID 115617939

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine (CID 65091463) is N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine is COc1ccc(NC2CCCC(C(C)C)CC2)cc1C.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is QDNNRCHEGTXQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13(2)15-6-5-7-16(9-8-15)19-17-10-11-18(20-4)14(3)12-17/h10-13,15-16,19H,5-9H2,1-4H3.
What are the key properties of N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine?
N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65091463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).