N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine

C18H30N2O — CID 82257445

IUPACN-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine
SMILESCOc1ccc(CC(C)NC2CCCCCCC2)cc1N
InChIInChI=1S/C18H30N2O/c1-14(20-16-8-6-4-3-5-7-9-16)12-15-10-11-18(21-2)17(19)13-15/h10-11,13-14,16,20H,3-9,12,19H2,1-2H3
InChIKeyFJBWAEMLQMUSFU-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.91
Rot. Bonds5

About N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine

N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine (PubChem CID 82257445) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine.

Molecular Properties

Compound NameN-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine
PubChem CID82257445
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine
SMILESCOc1ccc(CC(C)NC2CCCCCCC2)cc1N
InChIInChI=1S/C18H30N2O/c1-14(20-16-8-6-4-3-5-7-9-16)12-15-10-11-18(21-2)17(19)13-15/h10-11,13-14,16,20H,3-9,12,19H2,1-2H3
InChIKeyFJBWAEMLQMUSFU-UHFFFAOYSA-N
XLogP3.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine
CID 2846450
2-methoxy-5-[2-(methylamino)propyl]aniline
CID 82257468
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine
CID 63359784
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine
CID 43373330
2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline
CID 82257431
2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline
CID 82257458
1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol
CID 82257433
2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline
CID 82257442
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619
N-[1-(4-fluorophenyl)propan-2-yl]cyclooctanamine
CID 63464519
2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline
CID 82257451
2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline
CID 82257453

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine?
The IUPAC name of N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine (CID 82257445) is N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine.
What is the SMILES notation for N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine?
The canonical SMILES for N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine is COc1ccc(CC(C)NC2CCCCCCC2)cc1N.
What is the InChIKey of N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine?
The InChIKey is FJBWAEMLQMUSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(20-16-8-6-4-3-5-7-9-16)12-15-10-11-18(21-2)17(19)13-15/h10-11,13-14,16,20H,3-9,12,19H2,1-2H3.
What are the key properties of N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine?
N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine has a molecular weight of 290.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine is sourced from PubChem (CID 82257445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).