(3-phenyl-2-propan-2-yloxyphenyl)methanamine;hydrochloride

C16H20ClNO — CID 171037647

IUPAC(3-phenyl-2-propan-2-yloxyphenyl)methanamine;hydrochloride
SMILESCC(C)Oc1c(CN)cccc1-c1ccccc1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-12(2)18-16-14(11-17)9-6-10-15(16)13-7-4-3-5-8-13;/h3-10,12H,11,17H2,1-2H3;1H
InChIKeyBHMWZGHOMYQIBT-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.02
Rot. Bonds4

About (3-phenyl-2-propan-2-yloxyphenyl)methanamine;hydrochloride

(3-phenyl-2-propan-2-yloxyphenyl)methanamine;hydrochloride (PubChem CID 171037647) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is (3-phenyl-2-propan-2-yloxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-phenyl-2-propan-2-yloxyphenyl)methanamine;hydrochloride
PubChem CID171037647
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name(3-phenyl-2-propan-2-yloxyphenyl)methanamine;hydrochloride
SMILESCC(C)Oc1c(CN)cccc1-c1ccccc1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-12(2)18-16-14(11-17)9-6-10-15(16)13-7-4-3-5-8-13;/h3-10,12H,11,17H2,1-2H3;1H
InChIKeyBHMWZGHOMYQIBT-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromoethyl)-3-phenyl-2-propan-2-yloxybenzene
CID 175251474
1-methyl-3-phenyl-2-propan-2-yloxybenzene
CID 101215172
ethane;(2-phenylphenyl)methanamine
CID 142592948
2-[2-(aminomethyl)phenyl]-6-phenylaniline
CID 151108542
N-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine
CID 71137440
(2,6-diphenylphenyl)methanamine
CID 72713892
2-methoxy-1,3-diphenylbenzene
CID 23524590
O-(2,6-diphenylphenyl)hydroxylamine
CID 146317858
(4-propan-2-yloxyquinolin-3-yl)methanamine
CID 43669459
2,2-bis(2,6-diphenylphenoxy)ethylalumane
CID 173288308
(2-octyl-6-phenylphenyl)methanamine;hydrochloride
CID 118513340
2-ethoxy-1,3-diphenylbenzene;zinc
CID 175181234

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-2-propan-2-yloxyphenyl)methanamine;hydrochloride?
The IUPAC name of (3-phenyl-2-propan-2-yloxyphenyl)methanamine;hydrochloride (CID 171037647) is (3-phenyl-2-propan-2-yloxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (3-phenyl-2-propan-2-yloxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (3-phenyl-2-propan-2-yloxyphenyl)methanamine;hydrochloride is CC(C)Oc1c(CN)cccc1-c1ccccc1.Cl.
What is the InChIKey of (3-phenyl-2-propan-2-yloxyphenyl)methanamine;hydrochloride?
The InChIKey is BHMWZGHOMYQIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c1-12(2)18-16-14(11-17)9-6-10-15(16)13-7-4-3-5-8-13;/h3-10,12H,11,17H2,1-2H3;1H.
What are the key properties of (3-phenyl-2-propan-2-yloxyphenyl)methanamine;hydrochloride?
(3-phenyl-2-propan-2-yloxyphenyl)methanamine;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-2-propan-2-yloxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171037647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).