N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine

C16H24ClNO — CID 65194491

IUPACN-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cc(Cl)ccc2OC)CCC1
InChIInChI=1S/C16H24ClNO/c1-3-9-18-12-16(7-4-8-16)11-13-10-14(17)5-6-15(13)19-2/h5-6,10,18H,3-4,7-9,11-12H2,1-2H3
InChIKeyCUQKNFQTOGDQOZ-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.06
Rot. Bonds7

About N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine

N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine (PubChem CID 65194491) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
PubChem CID65194491
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cc(Cl)ccc2OC)CCC1
InChIInChI=1S/C16H24ClNO/c1-3-9-18-12-16(7-4-8-16)11-13-10-14(17)5-6-15(13)19-2/h5-6,10,18H,3-4,7-9,11-12H2,1-2H3
InChIKeyCUQKNFQTOGDQOZ-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
CID 65196229
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025564
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023806
1-(5-chloro-2-methoxyphenyl)-N-[[1-(chloromethyl)cyclopentyl]methyl]methanamine
CID 113294642
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
CID 66034885
[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358964
1-[3-[(5-chloro-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 55111253
N-[2-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714785
N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79679265
N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 106869506
N-[[2-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017307
N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 66025990

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine (CID 65194491) is N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine is CCCNCC1(Cc2cc(Cl)ccc2OC)CCC1.
What is the InChIKey of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine?
The InChIKey is CUQKNFQTOGDQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-9-18-12-16(7-4-8-16)11-13-10-14(17)5-6-15(13)19-2/h5-6,10,18H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine?
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 65194491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).