N-[[4-(2-aminoethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine

C14H22N2O — CID 114119863

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCc2ccc(CCN)cc2)C1
InChIInChI=1S/C14H22N2O/c1-17-14-8-13(9-14)16-10-12-4-2-11(3-5-12)6-7-15/h2-5,13-14,16H,6-10,15H2,1H3
InChIKeyMCSXLVPQXBQSCO-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.45
Rot. Bonds6

About N-[[4-(2-aminoethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine

N-[[4-(2-aminoethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine (PubChem CID 114119863) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine
PubChem CID114119863
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCc2ccc(CCN)cc2)C1
InChIInChI=1S/C14H22N2O/c1-17-14-8-13(9-14)16-10-12-4-2-11(3-5-12)6-7-15/h2-5,13-14,16H,6-10,15H2,1H3
InChIKeyMCSXLVPQXBQSCO-UHFFFAOYSA-N
XLogP1.45
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 113429867
N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104587926
N-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine
CID 104587739
3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 104587932
4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide
CID 104872021
N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine
CID 113286117
N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081446
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979
3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 104587859
3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 104871414
4-[[(4-methoxycyclohexyl)amino]methyl]phenol
CID 104530017
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine
CID 104587767

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine (CID 114119863) is N-[[4-(2-aminoethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine is COC1CC(NCc2ccc(CCN)cc2)C1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine?
The InChIKey is MCSXLVPQXBQSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-14-8-13(9-14)16-10-12-4-2-11(3-5-12)6-7-15/h2-5,13-14,16H,6-10,15H2,1H3.
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine?
N-[[4-(2-aminoethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 114119863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).