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

C18H30N2O — CID 65073415

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine
SMILESCOCc1ccccc1CNC1CCCN(C(C)C)CC1
InChIInChI=1S/C18H30N2O/c1-15(2)20-11-6-9-18(10-12-20)19-13-16-7-4-5-8-17(16)14-21-3/h4-5,7-8,15,18-19H,6,9-14H2,1-3H3
InChIKeyDSSIQRLZFVRPLH-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.19
Rot. Bonds6

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

N-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine (PubChem CID 65073415) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine
PubChem CID65073415
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine
SMILESCOCc1ccccc1CNC1CCCN(C(C)C)CC1
InChIInChI=1S/C18H30N2O/c1-15(2)20-11-6-9-18(10-12-20)19-13-16-7-4-5-8-17(16)14-21-3/h4-5,7-8,15,18-19H,6,9-14H2,1-3H3
InChIKeyDSSIQRLZFVRPLH-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1-propan-2-ylazepan-4-yl)amino]methyl]phenol
CID 114331588
N-[2-(methoxymethyl)phenyl]-1-propan-2-ylpiperidin-4-amine
CID 43677869
N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65072733
2-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetonitrile
CID 43223576
4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine
CID 65083589
N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine
CID 60743823
N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 63669754
N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine
CID 65074545
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073424
4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 28717433
(1R)-1-cyclopentyl-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 81395717
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine
CID 114122843

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine (CID 65073415) is N-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine is COCc1ccccc1CNC1CCCN(C(C)C)CC1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine?
The InChIKey is DSSIQRLZFVRPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)20-11-6-9-18(10-12-20)19-13-16-7-4-5-8-17(16)14-21-3/h4-5,7-8,15,18-19H,6,9-14H2,1-3H3.
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine?
N-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine has a molecular weight of 290.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65073415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).