N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine

C17H28N2O — CID 65072733

IUPACN-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine
SMILESCOc1ccc(CNC2CCCN(C(C)C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)19-11-4-5-16(10-12-19)18-13-15-6-8-17(20-3)9-7-15/h6-9,14,16,18H,4-5,10-13H2,1-3H3
InChIKeyUPBPNNPSYIGELD-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine

N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine (PubChem CID 65072733) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine
PubChem CID65072733
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine
SMILESCOc1ccc(CNC2CCCN(C(C)C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)19-11-4-5-16(10-12-19)18-13-15-6-8-17(20-3)9-7-15/h6-9,14,16,18H,4-5,10-13H2,1-3H3
InChIKeyUPBPNNPSYIGELD-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[(4-nitrophenyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073362
4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 28717433
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine
CID 43508797
N-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine
CID 65073415
2-[[(1-propan-2-ylazepan-4-yl)amino]methyl]phenol
CID 114331588
4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol
CID 28716549
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560755
N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54810069
2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43747536

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine (CID 65072733) is N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine is COc1ccc(CNC2CCCN(C(C)C)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine?
The InChIKey is UPBPNNPSYIGELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)19-11-4-5-16(10-12-19)18-13-15-6-8-17(20-3)9-7-15/h6-9,14,16,18H,4-5,10-13H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine?
N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65072733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).