N-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine

C18H24BrNO — CID 2867749

IUPACN-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
SMILESCc1ccc(C(C)(C)CC(C)NCc2ccc(Br)cc2)o1
InChIInChI=1S/C18H24BrNO/c1-13(20-12-15-6-8-16(19)9-7-15)11-18(3,4)17-10-5-14(2)21-17/h5-10,13,20H,11-12H2,1-4H3
InChIKeyUWTPZVWOJAINEH-UHFFFAOYSA-N
MW350.30 g/mol
LogP5.20
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine

N-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine (PubChem CID 2867749) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
PubChem CID2867749
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC NameN-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
SMILESCc1ccc(C(C)(C)CC(C)NCc2ccc(Br)cc2)o1
InChIInChI=1S/C18H24BrNO/c1-13(20-12-15-6-8-16(19)9-7-15)11-18(3,4)17-10-5-14(2)21-17/h5-10,13,20H,11-12H2,1-4H3
InChIKeyUWTPZVWOJAINEH-UHFFFAOYSA-N
XLogP5.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.30
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
CID 2867746
N-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
CID 2867762
N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 60749843
(1S,2S,3R)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine
CID 27274527
(1R,2S,3S)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine
CID 11905876
(4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium
CID 7463397
N-[(4-bromophenyl)methyl]-6-methylheptan-2-amine
CID 18807565
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434906
N-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63497866
N-[(4-bromophenyl)methyl]-1-chloro-N'-(1-chloroethyl)methanediamine
CID 146573711

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine (CID 2867749) is N-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine is Cc1ccc(C(C)(C)CC(C)NCc2ccc(Br)cc2)o1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
The InChIKey is UWTPZVWOJAINEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c1-13(20-12-15-6-8-16(19)9-7-15)11-18(3,4)17-10-5-14(2)21-17/h5-10,13,20H,11-12H2,1-4H3.
What are the key properties of N-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
N-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine has a molecular weight of 350.30 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine is sourced from PubChem (CID 2867749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).