N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine

C14H20BrN — CID 66024461

IUPACN-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C14H20BrN/c1-11(2)16-10-14(6-7-14)9-12-4-3-5-13(15)8-12/h3-5,8,11,16H,6-7,9-10H2,1-2H3
InChIKeyPECCVHVROGVBSN-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.77
Rot. Bonds5

About N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine

N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine (PubChem CID 66024461) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine
PubChem CID66024461
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC NameN-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C14H20BrN/c1-11(2)16-10-14(6-7-14)9-12-4-3-5-13(15)8-12/h3-5,8,11,16H,6-7,9-10H2,1-2H3
InChIKeyPECCVHVROGVBSN-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-[(3-bromophenyl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 62907138
1-bromo-3-[(1-propylcyclopropyl)methyl]benzene
CID 143267542
N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194612
N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63507661
N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66023794
N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194269
N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024242
1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735508
3-[(3-bromophenyl)methyl]-3-ethylazetidine
CID 79451956
N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 113471460
2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66468325
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide
CID 167965461

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine (CID 66024461) is N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine is CC(C)NCC1(Cc2cccc(Br)c2)CC1.
What is the InChIKey of N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine?
The InChIKey is PECCVHVROGVBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-11(2)16-10-14(6-7-14)9-12-4-3-5-13(15)8-12/h3-5,8,11,16H,6-7,9-10H2,1-2H3.
What are the key properties of N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine?
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine has a molecular weight of 282.22 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 66024461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).