N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine

C15H22ClNO — CID 65459381

IUPACN-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCC2CCC2)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-11(2)17-9-13-6-7-15(14(16)8-13)18-10-12-4-3-5-12/h6-8,11-12,17H,3-5,9-10H2,1-2H3
InChIKeyXGMJQQZANOQKSG-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.02
Rot. Bonds6

About N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine

N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 65459381) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID65459381
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCC2CCC2)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-11(2)17-9-13-6-7-15(14(16)8-13)18-10-12-4-3-5-12/h6-8,11-12,17H,3-5,9-10H2,1-2H3
InChIKeyXGMJQQZANOQKSG-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol
CID 65459443
N-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 66321851
N-[[3-bromo-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63045859
N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine
CID 63498871
3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626638
N-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291329
N-[(3-chloro-4-heptoxyphenyl)methyl]propan-2-amine
CID 63500122
N-[[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]propan-2-amine
CID 103409034
N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63556375
6-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]hexan-1-ol
CID 107702513
N-[[3-chloro-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 64740154
3-chloro-4-(cyclobutylmethoxy)aniline
CID 65459362

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine (CID 65459381) is N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCC2CCC2)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is XGMJQQZANOQKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11(2)17-9-13-6-7-15(14(16)8-13)18-10-12-4-3-5-12/h6-8,11-12,17H,3-5,9-10H2,1-2H3.
What are the key properties of N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine?
N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 267.80 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 65459381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).